Basic information
- CAS
1279813-53-4- Standard SMILES
Cc1nc(Cl)nn1CCc1ccccc1- InChIKey
VRIGQIOJWFIZAO-UHFFFAOYSA-N- Molecular formula
- C11H12ClN3
- Average molar mass
- 221.68 g/mol
- Monoisotopic mass
- 221.0719751
Names & identifiers
- Preferred name
- 3-chloro-5-methyl-1-(2-phenylethyl)-1H-1,2,4-triazole
- IUPAC
- 3-chloro-5-methyl-1-(2-phenylethyl)-1,2,4-triazole
Names & synonyms
3-chloro-5-methyl-1-(2-phenylethyl)-1H-1,2,4-triazole1279813-53-41H-1,2,4-Triazole, 3-chloro-5-methyl-1-(2-phenylethyl)-DTXSID301206945AKOS0057470743-chloro-5-methyl-1-(2-phenylethyl)-1,2,4-triazoleZ2755771297
Database identifiers
- CAS
1279813-53-4- PubChem CID
- 52897352
- DTXSID
DTXSID301206945
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 30.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 194
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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